SCHEMBL12370012

SCHEMBL12370012

Cc1cc(N2CCC([N+](C)(C)CCCCC[N+](C)(C)C)C2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.43
GAA P10253 1/20 0.43
LGMN Q99538 2/20 0.34
DPP4 P27487 6/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2927410 0.96 RAD52 (0.46) RAD52GAALGMNDPP4CDK1
Hydrochloric Acid SCHEMBL6495337 0.95 RAD52 (0.45) RAD52GAALGMNDPP4CDK1
SCHEMBL2930438 0.93 RAD52 (0.47) RAD52GAALGMNDPP4CDK1
SCHEMBL2266252 0.92 GAA (0.45) RAD52GAALGMNDPP4CDK1
Hydrochloric Acid SCHEMBL6494867 0.92 RAD52 (0.46) RAD52GAALGMNDPP4CDK1
Hydrochloric Acid SCHEMBL6401046 0.91 GAA (0.44) RAD52GAALGMNDPP4CDK1
Hydrochloric Acid SCHEMBL2535818 0.91 GAA (0.44) RAD52GAALGMNDPP4CDK1
SCHEMBL13515142 0.89 GAA (0.40) RAD52GAALGMNDPP4
Hydrochloric Acid SCHEMBL6714585 0.88 GAA (0.42) RAD52GAALGMNDPP4CDK1
SCHEMBL2127383 0.86 RAD52 (0.41) RAD52GAALGMNDPP4CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN RAD52 1528/4885GAA 2045/4885LGMN 2977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.